| CAS Number | 105728-06-1 |
| Catalog Number | AG008R3Y(AGN-PC-00NV2Q) |
| Chemical Name | (3-FORMYL-4-NITROPHENOXY)ACETIC ACID |
| IUPAC Name | 2-(3-formyl-4-nitrophenoxy)acetic acid |
| InChI | InChI=1S/C9H7NO6/c11-4-6-3-7(16-5-9(12)13)1-2-8(6)10(14)15/h1-4H,5H2,(H,12,13) |
| InChI Key | LNLRSVVPVPSANB-UHFFFAOYSA-N |
| MDL Number | MFCD03840321 |
| Molecular Formula | C9H7NO6 |
| Molecular Weight | 225.1550 |
| SMILES | O=Cc1cc(OCC(=O)O)ccc1[N+](=O)[O-] |
| Synonyms | 105728-06-1,
(3-FORMYL-4-NITROPHENOXY)ACETIC ACID,
Acetic acid,2-(3-formyl-4-nitrophenoxy)-,
2-(3-formyl-4-nitrophenyl)oxyacetic acid,
ACMC-1C6I2,
SCHEMBL7318422,
CTK4A4047,
DTXSID80548516,
ZINC2513216,
AKOS015911290,
2-(3-formyl-4-nitrophenoxy)acetic acid,
I14-39606,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.156g/mol |
| Monoisotopic Mass | 225.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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